sodium;6-(6-azaspiro[3.4]octan-2-ylamino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[(5-methoxycarbonyl-2-pyridinyl)amino]-6-azaspiro[3.4]octane-6-carboxylate;N',N'-dimethylethane-1,2-diamine;methane;methyl 6-fluoropyridine-3-carboxylate;6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octan-2-yl]amino]pyridine-3-carboxylic acid;hydroxide

C101H163FN21NaO17 — CID 165068567

About sodium;6-(6-azaspiro[3.4]octan-2-ylamino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[(5-methoxycarbonyl-2-pyridinyl)amino]-6-azaspiro[3.4]octane-6-carboxylate;N',N'-dimethylethane-1,2-diamine;methane;methyl 6-fluoropyridine-3-carboxylate;6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octan-2-yl]amino]pyridine-3-carboxylic acid;hydroxide

sodium;6-(6-azaspiro[3.4]octan-2-ylamino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[(5-methoxycarbonyl-2-pyridinyl)amino]-6-azaspiro[3.4]octane-6-carboxylate;N',N'-dimethylethane-1,2-diamine;methane;methyl 6-fluoropyridine-3-carboxylate;6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octan-2-yl]amino]pyridine-3-carboxylic acid;hydroxide (PubChem CID 165068567) has the molecular formula C101H163FN21NaO17 and a molecular weight of 1985.53 g/mol. Its IUPAC name is sodium;6-(6-azaspiro[3.4]octan-2-ylamino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[(5-methoxycarbonyl-2-pyridinyl)amino]-6-azaspiro[3.4]octane-6-carboxylate;N',N'-dimethylethane-1,2-diamine;methane;methyl 6-fluoropyridine-3-carboxylate;6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octan-2-yl]amino]pyridine-3-carboxylic acid;hydroxide.

Molecular Properties

• Compound Name: sodium;6-(6-azaspiro[3.4]octan-2-ylamino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[(5-methoxycarbonyl-2-pyridinyl)amino]-6-azaspiro[3.4]octane-6-carboxylate;N',N'-dimethylethane-1,2-diamine;methane;methyl 6-fluoropyridine-3-carboxylate;6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octan-2-yl]amino]pyridine-3-carboxylic acid;hydroxide
• PubChem CID: 165068567
• Molecular Formula: C101H163FN21NaO17
• Molecular Weight: 1985.53 g/mol
• Exact Mass: 1984.24
• IUPAC Name: sodium;6-(6-azaspiro[3.4]octan-2-ylamino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[(5-methoxycarbonyl-2-pyridinyl)amino]-6-azaspiro[3.4]octane-6-carboxylate;N',N'-dimethylethane-1,2-diamine;methane;methyl 6-fluoropyridine-3-carboxylate;6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octan-2-yl]amino]pyridine-3-carboxylic acid;hydroxide
• SMILES: C.C.CC(C)(C)OC(=O)N1CCC2(CC(N)C2)C1.CC(C)(C)OC(=O)N1CCC2(CC(Nc3ccc(C(=O)O)cn3)C2)C1.CN(C)CCN.CN(C)CCNC(=O)c1ccc(NC2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)nc1.CN(C)CCNC(=O)c1ccc(NC2CC3(CCNC3)C2)nc1.COC(=O)c1ccc(F)nc1.COC(=O)c1ccc(NC2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)nc1.[Na+].[OH-]
• InChI: InChI=1S/C22H35N5O3.C19H27N3O4.C18H25N3O4.C17H27N5O.C12H22N2O2.C7H6FNO2.C4H12N2.2CH4.Na.H2O/c1-21(2,3)30-20(29)27-10-8-22(15-27)12-17(13-22)25-18-7-6-16(14-24-18)19(28)23-9-11-26(4)5;1-18(2,3)26-17(24)22-8-7-19(12-22)9-14(10-19)21-15-6-5-13(11-20-15)16(23)25-4;1-17(2,3)25-16(24)21-7-6-18(11-21)8-13(9-18)20-14-5-4-12(10-19-14)15(22)23;1-22(2)8-7-19-16(23)13-3-4-15(20-11-13)21-14-9-17(10-14)5-6-18-12-17;1-11(2,3)16-10(15)14-5-4-12(8-14)6-9(13)7-12;1-11-7(10)5-2-3-6(8)9-4-5;1-6(2)4-3-5;;;;/h6-7,14,17H,8-13,15H2,1-5H3,(H,23,28)(H,24,25);5-6,11,14H,7-10,12H2,1-4H3,(H,20,21);4-5,10,13H,6-9,11H2,1-3H3,(H,19,20)(H,22,23);3-4,11,14,18H,5-10,12H2,1-2H3,(H,19,23)(H,20,21);9H,4-8,13H2,1-3H3;2-4H,1H3;3-5H2,1-2H3;2*1H4;;1H2/q;;;;;;;;;+1;/p-1
• InChIKey: SJICFBSCDCTMIV-UHFFFAOYSA-M
• XLogP: 9.90
• TPSA: 482.62 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1985.53
LogP ≤ 5	9.90
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;6-(6-azaspiro[3.4]octan-2-ylamino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[(5-methoxycarbonyl-2-pyridinyl)amino]-6-azaspiro[3.4]octane-6-carboxylate;N',N'-dimethylethane-1,2-diamine;methane;methyl 6-fluoropyridine-3-carboxylate;6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octan-2-yl]amino]pyridine-3-carboxylic acid;hydroxide?

The IUPAC name of sodium;6-(6-azaspiro[3.4]octan-2-ylamino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[(5-methoxycarbonyl-2-pyridinyl)amino]-6-azaspiro[3.4]octane-6-carboxylate;N',N'-dimethylethane-1,2-diamine;methane;methyl 6-fluoropyridine-3-carboxylate;6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octan-2-yl]amino]pyridine-3-carboxylic acid;hydroxide (CID 165068567) is sodium;6-(6-azaspiro[3.4]octan-2-ylamino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[(5-methoxycarbonyl-2-pyridinyl)amino]-6-azaspiro[3.4]octane-6-carboxylate;N',N'-dimethylethane-1,2-diamine;methane;methyl 6-fluoropyridine-3-carboxylate;6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octan-2-yl]amino]pyridine-3-carboxylic acid;hydroxide.

What is the SMILES notation for sodium;6-(6-azaspiro[3.4]octan-2-ylamino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[(5-methoxycarbonyl-2-pyridinyl)amino]-6-azaspiro[3.4]octane-6-carboxylate;N',N'-dimethylethane-1,2-diamine;methane;methyl 6-fluoropyridine-3-carboxylate;6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octan-2-yl]amino]pyridine-3-carboxylic acid;hydroxide?

The canonical SMILES for sodium;6-(6-azaspiro[3.4]octan-2-ylamino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[(5-methoxycarbonyl-2-pyridinyl)amino]-6-azaspiro[3.4]octane-6-carboxylate;N',N'-dimethylethane-1,2-diamine;methane;methyl 6-fluoropyridine-3-carboxylate;6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octan-2-yl]amino]pyridine-3-carboxylic acid;hydroxide is C.C.CC(C)(C)OC(=O)N1CCC2(CC(N)C2)C1.CC(C)(C)OC(=O)N1CCC2(CC(Nc3ccc(C(=O)O)cn3)C2)C1.CN(C)CCN.CN(C)CCNC(=O)c1ccc(NC2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)nc1.CN(C)CCNC(=O)c1ccc(NC2CC3(CCNC3)C2)nc1.COC(=O)c1ccc(F)nc1.COC(=O)c1ccc(NC2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)nc1.[Na+].[OH-].

What is the InChIKey of sodium;6-(6-azaspiro[3.4]octan-2-ylamino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[(5-methoxycarbonyl-2-pyridinyl)amino]-6-azaspiro[3.4]octane-6-carboxylate;N',N'-dimethylethane-1,2-diamine;methane;methyl 6-fluoropyridine-3-carboxylate;6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octan-2-yl]amino]pyridine-3-carboxylic acid;hydroxide?

The InChIKey is SJICFBSCDCTMIV-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H35N5O3.C19H27N3O4.C18H25N3O4.C17H27N5O.C12H22N2O2.C7H6FNO2.C4H12N2.2CH4.Na.H2O/c1-21(2,3)30-20(29)27-10-8-22(15-27)12-17(13-22)25-18-7-6-16(14-24-18)19(28)23-9-11-26(4)5;1-18(2,3)26-17(24)22-8-7-19(12-22)9-14(10-19)21-15-6-5-13(11-20-15)16(23)25-4;1-17(2,3)25-16(24)21-7-6-18(11-21)8-13(9-18)20-14-5-4-12(10-19-14)15(22)23;1-22(2)8-7-19-16(23)13-3-4-15(20-11-13)21-14-9-17(10-14)5-6-18-12-17;1-11(2,3)16-10(15)14-5-4-12(8-14)6-9(13)7-12;1-11-7(10)5-2-3-6(8)9-4-5;1-6(2)4-3-5;;;;/h6-7,14,17H,8-13,15H2,1-5H3,(H,23,28)(H,24,25);5-6,11,14H,7-10,12H2,1-4H3,(H,20,21);4-5,10,13H,6-9,11H2,1-3H3,(H,19,20)(H,22,23);3-4,11,14,18H,5-10,12H2,1-2H3,(H,19,23)(H,20,21);9H,4-8,13H2,1-3H3;2-4H,1H3;3-5H2,1-2H3;2*1H4;;1H2/q;;;;;;;;;+1;/p-1.

What are the key properties of sodium;6-(6-azaspiro[3.4]octan-2-ylamino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[(5-methoxycarbonyl-2-pyridinyl)amino]-6-azaspiro[3.4]octane-6-carboxylate;N',N'-dimethylethane-1,2-diamine;methane;methyl 6-fluoropyridine-3-carboxylate;6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octan-2-yl]amino]pyridine-3-carboxylic acid;hydroxide?

sodium;6-(6-azaspiro[3.4]octan-2-ylamino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[(5-methoxycarbonyl-2-pyridinyl)amino]-6-azaspiro[3.4]octane-6-carboxylate;N',N'-dimethylethane-1,2-diamine;methane;methyl 6-fluoropyridine-3-carboxylate;6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octan-2-yl]amino]pyridine-3-carboxylic acid;hydroxide has a molecular weight of 1985.53 g/mol, XLogP of 9.90, 21 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;6-(6-azaspiro[3.4]octan-2-ylamino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[(5-methoxycarbonyl-2-pyridinyl)amino]-6-azaspiro[3.4]octane-6-carboxylate;N',N'-dimethylethane-1,2-diamine;methane;methyl 6-fluoropyridine-3-carboxylate;6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octan-2-yl]amino]pyridine-3-carboxylic acid;hydroxide is sourced from PubChem (CID 165068567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).